Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2222013605
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-2222013605.sdf |
| SMILES | MCULE-2222013605.smiles |
| Standard InChI | MCULE-2222013605.inchi |
| InChIKey | MCULE-2222013605.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576685 | 98 | As is | in stock |
| P-875737324 | N/A | As is | in stock |
| P-869183761 | 95 | As is | in stock |
| P-505388886 | 98 | As is | in stock |
| P-535624547 | 99 | As is | in stock |
| P-903067047 | 99 | As is | 6.5 kg |
| P-606850929 | N/A | As is | in stock |
| P-596951479 | 99 | As is | 2.5 kg |
| P-889585541 | 95 | As is | in stock |
| P-580703922 | 98 | As is | 750 g |
| P-454639436 | 90 | As is | in stock |
| P-449699991 | 90 | As is | 12.495 g |
| P-436469710 | 95 | As is | in stock |
| P-578527332 | 90 | As is | in stock |
| P-868613391 | 95 | As is | in stock |
| P-579481624 | 95 | As is | in stock |
| P-862029140 | 95 | As is | 2.63199 kg |
| P-905345897 | 95 | As is | 875 g |
| P-870655278 | N/A | As is | in stock |
| P-505493059 | 95 | As is | in stock |
| P-488550602 | 90 | As is | in stock |
| P-12396722 | 95 | As is | 300 mg |
| P-575366098 | 98 | As is | 100 mg |
| P-31134591 | 90 | As is | 10 g |
| P-856044791 | 90 | As is | 10 g |
| P-588253757 | N/A | As is | by synthesis |
| P-852448832 | N/A | As is | in stock |
| P-896627223 | 95 | As is | by synthesis |
| P-854718270 | 95 | As is | in stock |
| P-474025536 | 95 | As is | in stock |
| P-608271165 | 98 | As is | in stock |
| P-620224825 | 95 | As is | 1000 mg |
| P-12682701 | 90 | As is | 1000 mg |
| P-454368926 | 92 | As is | in stock |
| P-864659638 | 92 | As is | 300 mg |
| P-500405372 | 98 | As is | by synthesis |
| P-885522879 | 95 | As is | by synthesis |
| P-18946404 | 90 | As is | in stock |
| P-498641466 | 95 | As is | by synthesis |
| P-579712035 | N/A | As is | in stock |
| P-23354317 | 90 | As is | 991 mg |
| P-869107918 | 95 | As is | by synthesis |
| P-892286511 | 95 | As is | 1.002 g |
| P-888626941 | 95 | As is | 1.002 g |
| P-502364760 | 90 | As is | in stock |
| P-22474158 | 90 | As is | 178 mg |
| P-513331 | 90 | As is | 1.707 g |
| P-3241358 | 90 | As is | 1.707 g |
| P-3219092 | 90 | As is | 1.707 g |
| P-666976590 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.242 |
| logP | 2.6318 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.8315 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
